N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine

C14H17N3 — CID 1235439

IUPACN-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
SMILESCC[C@@H](C)Nc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H17N3/c1-3-11(2)17-14-9-13(15-10-16-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyIYZOUMUXIFCQDK-LLVKDONJSA-N
MW227.31 g/mol
LogP3.35
Rot. Bonds4

About N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine

N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine (PubChem CID 1235439) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
PubChem CID1235439
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
SMILESCC[C@@H](C)Nc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C14H17N3/c1-3-11(2)17-14-9-13(15-10-16-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChIKeyIYZOUMUXIFCQDK-LLVKDONJSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-thiophen-3-ylpyrimidin-4-amine
CID 126848920
N-butan-2-yl-5-phenyl-1H-pyrazol-3-amine
CID 71102325
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
3-phenyl-2-[[6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629329
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
4-N-butan-2-yl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879173
6-(4-butan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82477552
N-butan-2-yl-6-cyclobutylpyrimidin-4-amine
CID 126848123
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-butan-2-yl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112855480
4,6-diphenylpyrimidine;iridium(3+)
CID 160559843
N-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 2073637

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine (CID 1235439) is N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine is CC[C@@H](C)Nc1cc(-c2ccccc2)ncn1.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine?
The InChIKey is IYZOUMUXIFCQDK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-11(2)17-14-9-13(15-10-16-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine?
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 1235439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).